Geometry & MOs

Info

ID:

83899

PubChem CID:

49862291

Reduced:

F2N3O3C30H37 (1)

Stoich.:

A2B3C3D30E37 (1)

Weight, g/mol:

513.280298

ΔHf, kcal/mol:

-208.71

Dipole, Da:

2.02

IP(EA), eV:

 -8.54(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(2-oxopiperidin-1-yl)phenyl]cyclohexyl]amino]butan-2-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)[C@@H](CNC2(CCCCC2)C3=CC(=CC=C3)N4C5CCC(C5)C4=O)O

DOS

IR

Vibrations